2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine

C22H21NO — CID 141419868

IUPAC2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1cccc(C2CCc3ncccc3O2)c1
InChIInChI=1S/C22H21NO/c1-15-6-3-7-16(2)22(15)18-9-4-8-17(14-18)20-12-11-19-21(24-20)10-5-13-23-19/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyHFPURBIKKXWVRU-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.43
Rot. Bonds2

About 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine

2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine (PubChem CID 141419868) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
PubChem CID141419868
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1cccc(C2CCc3ncccc3O2)c1
InChIInChI=1S/C22H21NO/c1-15-6-3-7-16(2)22(15)18-9-4-8-17(14-18)20-12-11-19-21(24-20)10-5-13-23-19/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyHFPURBIKKXWVRU-UHFFFAOYSA-N
XLogP5.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine (CID 141419868) is 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine is Cc1cccc(C)c1-c1cccc(C2CCc3ncccc3O2)c1.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The InChIKey is HFPURBIKKXWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-15-6-3-7-16(2)22(15)18-9-4-8-17(14-18)20-12-11-19-21(24-20)10-5-13-23-19/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine has a molecular weight of 315.42 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine is sourced from PubChem (CID 141419868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).